1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid

C9H11N3O3 — CID 83857332

IUPAC1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCC2)[nH]c(=O)n1
InChIInChI=1S/C9H11N3O3/c10-6-4-5(11-8(15)12-6)9(7(13)14)2-1-3-9/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyMSMDOUBJCJGSJX-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.14
Rot. Bonds2

About 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid

1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid (PubChem CID 83857332) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid
PubChem CID83857332
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCC2)[nH]c(=O)n1
InChIInChI=1S/C9H11N3O3/c10-6-4-5(11-8(15)12-6)9(7(13)14)2-1-3-9/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyMSMDOUBJCJGSJX-UHFFFAOYSA-N
XLogP-0.14
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopentane-1-carboxylic acid
CID 83857333
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid
CID 83870231
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 136327608

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid (CID 83857332) is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid is Nc1cc(C2(C(=O)O)CCC2)[nH]c(=O)n1.
What is the InChIKey of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid?
The InChIKey is MSMDOUBJCJGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-6-4-5(11-8(15)12-6)9(7(13)14)2-1-3-9/h4H,1-3H2,(H,13,14)(H3,10,11,12,15).
What are the key properties of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid?
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83857332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).